SCHEMBL11655911

SCHEMBL11655911

N#Cc1ccc(C=Nc2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ FFAR1 O14842 2/20 0.50
▸ HDAC2 Q92769 3/20 0.49
▸ P4HB P07237 4/20 0.48
▸ SNCA P37840 1/20 0.47
▸ CA2 P00918 3/20 0.45
▸ HCAR2 Q8TDS4 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ AKR1B10 O60218 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11655914 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNAL3MBTL1FFAR1
SCHEMBL11655909 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNAL3MBTL1FFAR1
SCHEMBL992032 0.86 ALDH1A1 (0.67) ALDH1A1MAPTLMNAL3MBTL1FFAR1
SCHEMBL992033 0.86 ALDH1A1 (0.67) ALDH1A1MAPTLMNAL3MBTL1FFAR1
Hydrochloric Acid SCHEMBL27894460 0.84 ALDH1A1 (0.65) ALDH1A1MAPTLMNAL3MBTL1FFAR1
Hydrochloric Acid SCHEMBL6818309 0.84 ALDH1A1 (0.65) ALDH1A1MAPTLMNAL3MBTL1FFAR1
SCHEMBL9649909 0.82 CA2 (0.67) ALDH1A1MAPTLMNAL3MBTL1P4HB
SCHEMBL6364078 0.82 CA2 (0.67) ALDH1A1MAPTLMNAL3MBTL1P4HB
SCHEMBL27873983 0.82 CA2 (0.67) ALDH1A1MAPTLMNAL3MBTL1P4HB
SCHEMBL9421253 0.81 HDAC2 (0.71) ALDH1A1MAPTLMNAL3MBTL1FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101207-A Preparation of liquid crystal containing polymeric structure OWENS-ILLINOIS, INC. (US) 1978-07-18 — — US disclosed
US-3935337-A Preparation of liquid crystal containing polymeric structure OWENS-ILLINOIS, INC. (US) 1976-01-27 — — US disclosed
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